3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole

C10H18N4OS — CID 43949693

IUPAC3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole
SMILESCCCOc1nsnc1N1CCN(C)CC1
InChIInChI=1S/C10H18N4OS/c1-3-8-15-10-9(11-16-12-10)14-6-4-13(2)5-7-14/h3-8H2,1-2H3
InChIKeyKKZBAKPWXNUJLV-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.08
Rot. Bonds4

About 3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole

3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole (PubChem CID 43949693) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole
PubChem CID43949693
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole
SMILESCCCOc1nsnc1N1CCN(C)CC1
InChIInChI=1S/C10H18N4OS/c1-3-8-15-10-9(11-16-12-10)14-6-4-13(2)5-7-14/h3-8H2,1-2H3
InChIKeyKKZBAKPWXNUJLV-UHFFFAOYSA-N
XLogP1.08
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole (CID 43949693) is 3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole is CCCOc1nsnc1N1CCN(C)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole?
The InChIKey is KKZBAKPWXNUJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c1-3-8-15-10-9(11-16-12-10)14-6-4-13(2)5-7-14/h3-8H2,1-2H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole?
3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole has a molecular weight of 242.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-4-propoxy-1,2,5-thiadiazole is sourced from PubChem (CID 43949693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).